[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 2-(2-furylmethylsulfanyl)benzoate CAS Name: 2-(2-furanylmethylthio)benzoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-furfurylthio)benzoic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C23H19FN2O4S MolecularWeight: 438.471363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)SCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)SCC3=CC=CO3

InChI

InChI=1S/C23H19FN2O4S/c24-19-9-2-3-10-20(19)26(13-6-12-25)22(27)15-30-23(28)18-8-1-4-11-21(18)31-16-17-7-5-14-29-17/h1-5,7-11,14H,6,13,15-16H2